5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

C11H15F4N3O — CID 80988435

IUPAC5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCC(F)(F)C(F)F
InChIInChI=1S/C11H15F4N3O/c1-5(2)8-17-7(16)6(3)9(18-8)19-4-11(14,15)10(12)13/h5,10H,4H2,1-3H3,(H2,16,17,18)
InChIKeySLOOMNZMVHYGEP-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.77
Rot. Bonds5

About 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80988435) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80988435
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCC(F)(F)C(F)F
InChIInChI=1S/C11H15F4N3O/c1-5(2)8-17-7(16)6(3)9(18-8)19-4-11(14,15)10(12)13/h5,10H,4H2,1-3H3,(H2,16,17,18)
InChIKeySLOOMNZMVHYGEP-UHFFFAOYSA-N
XLogP2.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80988435) is 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1OCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is SLOOMNZMVHYGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-5(2)8-17-7(16)6(3)9(18-8)19-4-11(14,15)10(12)13/h5,10H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 281.25 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).